#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imd s LYS 56 N 0.00 2.12 0.62 3.17 1.02 -1.26 -5.13 119.74 120.27 3imd s LYS 56 Ca 0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 55.97 54.90 3imd s LYS 56 Cb 0.00 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 3imd s LYS 56 CO 0.00 0.56 1.10 -1.25 -0.92 0.00 0.00 175.35 174.84 3imd s PRO 57 N -0.70 3.05 -0.08 -1.68 0.04 -1.26 -4.97 135.00 129.41 3imd s PRO 57 Ca 0.10 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3imd s PRO 57 Cb -0.10 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3imd s PRO 57 CO -0.00 -1.06 1.20 -1.01 0.04 0.00 0.00 177.00 176.17 3imd s HIS 58 N -2.23 3.15 -2.00 0.56 3.76 -1.26 -4.92 115.29 112.35 3imd s HIS 58 Ca 0.68 1.20 0.02 0.00 -0.15 0.00 0.00 55.06 56.80 3imd s HIS 58 Cb -0.20 -3.43 0.12 0.00 1.11 0.00 0.00 32.58 30.18 3imd s HIS 58 CO 0.37 -1.33 0.86 -0.35 -0.85 0.00 0.00 174.74 173.43 3imd n PRO 59 N 5.43 0.77 0.00 8.40 -0.04 -1.26 -3.49 135.00 144.81 3imd n PRO 59 Ca 0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 3imd n PRO 59 Cb 0.46 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 3imd n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3imd n TRP 60 N -0.54 0.00 -3.31 0.54 4.27 -1.26 -4.76 117.44 112.38 3imd n TRP 60 Ca 0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.20 3imd n TRP 60 Cb 0.01 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.87 3imd n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3imd s PHE 61 N -1.55 3.17 -2.48 -2.67 5.36 -1.23 0.01 117.98 118.60 3imd s PHE 61 Ca 0.06 -0.16 0.20 0.00 -0.96 0.00 0.00 56.93 56.08 3imd s PHE 61 Cb 0.07 -2.89 0.15 0.00 -0.34 0.00 0.00 43.02 40.02 3imd s PHE 61 CO 0.30 -0.62 1.13 1.19 -1.46 0.00 0.00 175.22 175.76 3imd n PHE 62 N 5.64 0.00 -4.64 10.12 3.01 -0.69 -4.99 117.46 125.91 3imd n PHE 62 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3imd n PHE 62 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3imd n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3imd n GLY 63 N 1.15 1.75 3.53 1.37 0.00 -1.26 -4.18 105.19 107.55 3imd n GLY 63 Ca 0.12 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3imd n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3imd s LYS 64 N 0.00 3.94 -0.12 1.61 2.20 -1.26 -0.76 119.74 125.35 3imd s LYS 64 Ca 0.00 -2.07 0.00 0.00 -0.36 0.00 0.00 55.97 53.54 3imd s LYS 64 Cb 0.00 -5.30 -0.02 0.00 -1.51 0.00 0.00 37.83 31.00 3imd s LYS 64 CO 0.00 -2.05 -0.13 -1.50 -0.36 0.00 0.00 175.35 171.32 3imd s ILE 65 N 3.29 3.08 0.65 5.43 1.10 -1.26 -4.99 121.20 128.50 3imd s ILE 65 Ca 0.47 -0.66 -0.17 0.00 -0.51 0.00 0.00 60.65 59.78 3imd s ILE 65 Cb 0.00 -2.29 -0.03 0.00 0.15 0.00 0.00 42.46 40.30 3imd s ILE 65 CO 0.02 0.53 0.99 -2.65 -2.11 0.00 0.00 174.94 171.72 3imd n PRO 66 N 3.40 0.79 -0.35 3.50 -0.02 -1.26 -4.76 135.00 136.31 3imd n PRO 66 Ca -0.18 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 3imd n PRO 66 Cb 0.53 -2.22 0.27 0.00 -0.02 0.00 0.00 33.50 32.06 3imd n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3imd h ARG 67 N 0.24 0.81 -0.34 -0.52 2.43 -1.99 -1.33 114.38 113.68 3imd h ARG 67 Ca -0.48 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.53 3imd h ARG 67 Cb 1.35 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3imd h ARG 67 CO 0.50 0.54 -0.24 0.00 -1.51 0.00 0.00 179.97 179.25 3imd h ALA 68 N 1.59 0.93 -0.05 2.80 0.00 -1.99 -2.22 119.26 120.32 3imd h ALA 68 Ca 0.53 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3imd h ALA 68 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3imd h ALA 68 CO -0.33 0.61 -0.54 0.87 0.00 0.00 0.00 179.25 179.86 3imd h LYS 69 N 0.59 0.14 -0.44 0.00 1.79 -1.63 -0.93 116.57 116.10 3imd h LYS 69 Ca 0.08 -0.09 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 3imd h LYS 69 Cb 0.73 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 3imd h LYS 69 CO 0.06 0.65 -0.26 0.00 -1.08 0.00 0.00 179.45 178.82 3imd h ALA 70 N 1.33 0.70 -0.43 3.86 0.00 -1.04 -2.07 119.26 121.61 3imd h ALA 70 Ca -0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3imd h ALA 70 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3imd h ALA 70 CO 0.08 0.67 -0.32 0.93 0.00 0.00 0.00 179.25 180.61 3imd h GLU 71 N 0.80 0.97 -0.13 0.00 5.08 -1.19 -1.83 114.58 118.28 3imd h GLU 71 Ca 0.10 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3imd h GLU 71 Cb 0.83 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3imd h GLU 71 CO 0.07 1.14 0.08 1.49 -1.00 0.00 0.00 179.01 180.79 3imd h GLU 72 N 0.81 0.16 -0.16 2.33 4.81 -1.03 -1.61 114.58 119.88 3imd h GLU 72 Ca 0.08 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 3imd h GLU 72 Cb 0.91 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 3imd h GLU 72 CO 0.08 0.11 -0.64 0.00 -0.73 0.00 0.00 179.01 177.83 3imd h MET 73 N 0.17 0.60 0.00 1.92 -0.00 -1.36 -3.24 114.93 113.02 3imd h MET 73 Ca 0.05 -0.43 -0.06 0.00 -0.00 0.00 0.00 59.70 59.26 3imd h MET 73 Cb -0.01 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.65 3imd h MET 73 CO -0.02 1.05 -0.30 -0.07 -0.00 0.00 0.00 176.91 177.57 3imd h LEU 74 N 0.44 0.00 -1.28 -0.10 3.38 -1.25 -2.96 115.31 113.54 3imd h LEU 74 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3imd h LEU 74 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3imd h LEU 74 CO 0.12 0.30 0.00 0.77 0.09 0.00 0.00 178.44 179.72 3imd h SER 75 N 0.00 0.00 0.68 -0.43 4.64 -1.32 -2.46 113.55 114.66 3imd h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3imd h SER 75 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3imd h SER 75 CO 0.04 0.00 -0.48 0.29 -0.87 0.00 0.00 176.83 175.81 3imd n LYS 76 N -2.91 0.09 -2.65 4.77 5.02 -1.12 -4.87 118.16 116.49 3imd n LYS 76 Ca 0.01 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 3imd n LYS 76 Cb 0.29 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 3imd n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3imd s GLN 77 N -3.05 4.78 0.06 1.97 -1.52 -0.93 -4.99 119.66 115.98 3imd s GLN 77 Ca 0.10 1.60 0.00 0.00 -1.95 0.00 0.00 55.36 55.12 3imd s GLN 77 Cb 0.16 -3.25 -0.26 0.00 -0.22 0.00 0.00 33.01 29.45 3imd s GLN 77 CO 0.69 0.41 1.07 0.00 -0.25 0.00 0.00 175.29 177.20 3imd h ARG 78 N 4.04 0.17 -5.54 2.91 3.08 -1.89 -3.47 114.38 113.68 3imd h ARG 78 Ca -0.46 -0.30 -0.65 0.00 0.07 0.00 0.00 59.98 58.65 3imd h ARG 78 Cb 1.20 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 31.27 3imd h ARG 78 CO 0.68 1.08 -0.49 -1.01 -1.07 0.00 0.00 179.97 179.15 3imd s HIS 79 N -2.66 3.51 0.22 3.04 3.76 -1.26 -5.02 115.29 116.89 3imd s HIS 79 Ca -0.04 0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 55.00 3imd s HIS 79 Cb 0.08 -2.00 -0.10 0.00 1.11 0.00 0.00 32.58 31.67 3imd s HIS 79 CO 0.85 0.57 1.41 -0.51 -0.85 0.00 0.00 174.74 176.22 3imd s ASP 80 N -0.58 6.72 0.00 1.40 1.01 -1.26 -2.48 116.67 121.49 3imd s ASP 80 Ca 0.12 2.57 0.00 0.00 0.71 0.00 0.00 52.55 55.96 3imd s ASP 80 Cb -0.12 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.20 3imd s ASP 80 CO 0.02 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.35 3imd n GLY 81 N 2.39 1.94 3.69 0.21 0.00 0.04 -4.81 105.19 108.66 3imd n GLY 81 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3imd n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imd n ALA 82 N -1.27 2.14 -2.29 4.61 0.00 -1.03 -1.83 120.51 120.83 3imd n ALA 82 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 3imd n ALA 82 Cb 0.00 -2.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.79 3imd n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3imd s PHE 83 N 2.62 1.71 -0.05 0.00 -0.12 -1.21 -0.79 117.98 120.14 3imd s PHE 83 Ca 0.82 -1.62 -0.31 0.00 -0.05 0.00 0.00 56.93 55.77 3imd s PHE 83 Cb -0.50 -0.73 0.07 0.00 -0.63 0.00 0.00 43.02 41.24 3imd s PHE 83 CO 0.38 -0.82 0.70 -0.48 -0.05 0.00 0.00 175.22 174.94 3imd s LEU 84 N -3.37 -0.64 -0.14 -1.99 0.05 -0.83 -4.48 118.68 107.28 3imd s LEU 84 Ca 0.40 0.69 -0.04 0.00 0.05 0.00 0.00 54.13 55.23 3imd s LEU 84 Cb 0.03 2.50 -0.03 0.00 -2.05 0.00 0.00 46.19 46.63 3imd s LEU 84 CO 0.26 -0.60 -0.01 -0.63 -0.55 0.00 0.00 176.35 174.82 3imd s ILE 85 N -1.23 4.17 0.17 1.48 -1.09 0.10 -1.55 121.20 123.25 3imd s ILE 85 Ca -0.10 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 3imd s ILE 85 Cb -0.00 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 3imd s ILE 85 CO 0.09 0.52 -0.03 0.00 -1.23 0.00 0.00 174.94 174.30 3imd s ARG 86 N -0.03 1.10 -0.37 2.79 1.70 -0.23 -1.71 118.95 122.20 3imd s ARG 86 Ca 0.03 -1.52 -0.15 0.00 -0.47 0.00 0.00 55.73 53.62 3imd s ARG 86 Cb -0.13 -0.39 0.00 0.00 -0.57 0.00 0.00 34.95 33.86 3imd s ARG 86 CO 0.02 -0.07 0.34 -1.21 -1.08 0.00 0.00 175.30 173.31 3imd s GLU 87 N -3.86 3.32 0.31 3.89 2.02 0.06 -0.74 118.70 123.70 3imd s GLU 87 Ca 0.22 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3imd s GLU 87 Cb 0.05 -3.88 -0.13 0.00 0.10 0.00 0.00 34.13 30.27 3imd s GLU 87 CO 0.03 -0.63 1.26 0.45 0.02 0.00 0.00 175.26 176.39 3imd n SER 88 N 5.34 2.47 -0.05 -0.19 2.88 -0.22 -4.36 113.62 119.49 3imd n SER 88 Ca -0.10 1.19 -0.11 0.00 -1.33 0.00 0.00 58.87 58.52 3imd n SER 88 Cb 0.48 -1.43 -0.14 0.00 -0.75 0.00 0.00 64.21 62.37 3imd n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3imd n GLU 89 N 0.94 0.67 0.12 -1.46 1.02 -1.26 -3.80 120.64 116.86 3imd n GLU 89 Ca 0.07 0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 57.38 3imd n GLU 89 Cb 0.34 -1.68 0.10 0.00 -0.02 0.00 0.00 31.44 30.18 3imd n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3imd h SER 90 N 0.01 0.00 -2.87 1.62 4.64 -1.98 -3.38 113.55 111.59 3imd h SER 90 Ca -0.41 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.31 3imd h SER 90 Cb 2.08 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.77 3imd h SER 90 CO 0.05 0.71 -0.80 0.00 -0.87 0.00 0.00 176.83 175.92 3imd s ALA 91 N -3.36 2.10 0.18 5.18 0.00 -1.26 -5.12 121.76 119.49 3imd s ALA 91 Ca -0.01 -2.74 -0.33 0.00 0.00 0.00 0.00 51.96 48.89 3imd s ALA 91 Cb 0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 21.30 3imd s ALA 91 CO 0.78 -2.04 1.68 -2.30 0.00 0.00 0.00 175.76 173.87 3imd n PRO 92 N 2.98 2.53 0.00 0.00 -0.02 -1.25 -1.91 135.00 137.33 3imd n PRO 92 Ca 0.20 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3imd n PRO 92 Cb 0.40 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3imd n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imd n GLY 93 N 3.77 0.36 3.77 -1.23 0.00 -1.26 -5.07 105.19 105.53 3imd n GLY 93 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3imd n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3imd s ASP 94 N -1.91 5.45 0.18 1.61 -0.00 -0.80 -5.04 116.67 116.17 3imd s ASP 94 Ca 0.00 -0.07 0.06 0.00 -0.00 0.00 0.00 52.55 52.53 3imd s ASP 94 Cb 0.00 -1.43 -0.04 0.00 -0.00 0.00 0.00 42.92 41.45 3imd s ASP 94 CO 0.00 0.14 0.14 -0.36 -0.00 0.00 0.00 175.17 175.09 3imd s PHE 95 N -1.50 3.13 0.03 4.23 0.40 -1.26 -1.05 117.98 121.95 3imd s PHE 95 Ca 0.29 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 3imd s PHE 95 Cb -0.11 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 3imd s PHE 95 CO 0.22 0.52 -0.07 -1.12 0.70 0.00 0.00 175.22 175.47 3imd s SER 96 N -3.26 0.79 -0.17 1.36 0.01 0.09 -1.41 113.70 111.10 3imd s SER 96 Ca 0.31 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 3imd s SER 96 Cb -0.10 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 3imd s SER 96 CO 0.23 -0.13 -0.06 -0.22 0.41 0.00 0.00 173.24 173.48 3imd s LEU 97 N -1.17 3.02 -0.17 2.44 2.96 0.96 -1.07 118.68 125.66 3imd s LEU 97 Ca -0.07 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3imd s LEU 97 Cb -0.08 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3imd s LEU 97 CO 0.00 0.10 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.53 3imd s SER 98 N 0.75 3.44 -0.00 3.68 0.01 -0.59 -0.05 113.70 120.92 3imd s SER 98 Ca -0.02 -0.55 0.05 0.00 1.31 0.00 0.00 55.95 56.74 3imd s SER 98 Cb -0.15 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 3imd s SER 98 CO 0.02 0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 172.84 3imd s VAL 99 N 1.09 1.38 0.03 3.43 1.01 0.70 -1.96 120.40 126.08 3imd s VAL 99 Ca -0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 3imd s VAL 99 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3imd s VAL 99 CO -0.06 0.34 0.84 -0.75 0.00 0.00 0.00 175.10 175.47 3imd s LYS 100 N -0.54 4.54 -0.26 2.72 2.47 0.03 0.03 119.74 128.74 3imd s LYS 100 Ca 0.06 1.19 -0.01 0.00 -1.56 0.00 0.00 55.97 55.66 3imd s LYS 100 Cb -0.07 -3.40 0.15 0.00 -1.46 0.00 0.00 37.83 33.04 3imd s LYS 100 CO -0.00 0.16 0.40 0.12 0.16 0.00 0.00 175.35 176.18 3imd s PHE 101 N 0.34 -0.93 0.00 4.03 2.19 -0.63 -0.78 117.98 122.20 3imd s PHE 101 Ca 0.43 0.70 0.00 0.00 0.33 0.00 0.00 56.93 58.39 3imd s PHE 101 Cb -0.21 -0.01 0.00 0.00 -1.31 0.00 0.00 43.02 41.49 3imd s PHE 101 CO 0.25 -0.82 0.00 0.41 1.83 0.00 0.00 175.22 176.89 3imd n GLY 102 N 5.36 3.17 1.51 13.12 0.00 -1.26 -1.73 105.19 125.35 3imd n GLY 102 Ca -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.84 3imd n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3imd n ASN 103 N 4.37 4.42 -4.42 1.61 4.13 -1.26 -4.90 115.26 119.21 3imd n ASN 103 Ca 0.00 -2.66 -0.21 0.00 1.68 0.00 0.00 54.58 53.39 3imd n ASN 103 Cb 0.00 -0.63 -0.10 0.00 -1.54 0.00 0.00 39.78 37.51 3imd n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3imd s ASP 104 N -0.58 2.70 -0.13 6.41 -0.00 -0.71 -5.10 116.67 119.27 3imd s ASP 104 Ca 0.40 -1.20 -0.00 0.00 -0.00 0.00 0.00 52.55 51.75 3imd s ASP 104 Cb 0.30 -0.16 0.02 0.00 -0.00 0.00 0.00 42.92 43.09 3imd s ASP 104 CO 0.12 -0.36 -0.10 -0.69 -0.00 0.00 0.00 175.17 174.13 3imd s VAL 105 N -3.04 1.26 -0.14 -1.27 1.01 -1.26 -1.61 120.40 115.34 3imd s VAL 105 Ca 0.30 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3imd s VAL 105 Cb 0.04 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3imd s VAL 105 CO 0.12 0.41 0.30 -1.10 0.00 0.00 0.00 175.10 174.83 3imd s GLN 106 N 1.62 4.16 -0.10 2.72 -0.21 0.10 -4.90 119.66 123.05 3imd s GLN 106 Ca 0.05 0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.55 3imd s GLN 106 Cb -0.13 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 3imd s GLN 106 CO -0.09 0.32 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.33 3imd s HIS 107 N 0.20 2.96 -0.02 0.91 3.76 -1.26 -0.21 115.29 121.62 3imd s HIS 107 Ca 0.18 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.98 3imd s HIS 107 Cb -0.13 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 3imd s HIS 107 CO 0.05 0.15 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.88 3imd s PHE 108 N -0.29 1.47 -0.05 1.40 0.40 0.92 -4.99 117.98 116.84 3imd s PHE 108 Ca 0.04 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.85 3imd s PHE 108 Cb -0.13 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 3imd s PHE 108 CO 0.02 -0.07 0.57 -1.59 0.70 0.00 0.00 175.22 174.86 3imd s LYS 109 N -0.22 4.33 -0.48 0.44 -2.85 -1.26 -0.03 119.74 119.67 3imd s LYS 109 Ca 0.03 0.66 -0.25 0.00 -1.00 0.00 0.00 55.97 55.41 3imd s LYS 109 Cb -0.08 -3.38 0.03 0.00 -2.06 0.00 0.00 37.83 32.34 3imd s LYS 109 CO 0.00 0.27 0.94 0.08 0.10 0.00 0.00 175.35 176.74 3imd s VAL 110 N 0.17 4.44 0.40 1.79 1.01 -0.50 -4.68 120.40 123.03 3imd s VAL 110 Ca 0.30 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 3imd s VAL 110 Cb -0.17 -4.47 -0.07 0.00 0.00 0.00 0.00 36.38 31.67 3imd s VAL 110 CO 0.15 -0.91 0.77 -0.76 0.00 0.00 0.00 175.10 174.35 3imd s LEU 111 N 3.84 3.85 0.03 3.92 1.43 0.42 -4.41 118.68 127.76 3imd s LEU 111 Ca 0.36 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 3imd s LEU 111 Cb -0.10 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 3imd s LEU 111 CO 0.25 -0.38 -0.21 -0.13 0.23 0.00 0.00 176.35 176.10 3imd s ARG 112 N -3.77 1.50 0.00 1.70 0.52 -1.26 -0.93 118.95 116.71 3imd s ARG 112 Ca 0.52 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 3imd s ARG 112 Cb -0.10 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 33.79 3imd s ARG 112 CO 0.30 0.41 0.00 -0.40 0.02 0.00 0.00 175.30 175.63 3imd n ASP 113 N 2.00 0.00 0.20 0.23 3.85 -0.73 -4.95 116.55 117.16 3imd n ASP 113 Ca -0.17 -0.61 0.06 0.00 -0.71 0.00 0.00 54.79 53.36 3imd n ASP 113 Cb 0.53 0.00 0.42 0.00 -1.35 0.00 0.00 41.12 40.72 3imd n ASP 113 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3imd h GLY 114 N 0.00 0.00 0.99 6.12 0.00 -2.02 -3.04 103.07 105.12 3imd h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3imd h GLY 114 CO 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.94 3imd n ALA 115 N -2.33 3.37 0.00 3.60 0.00 -1.26 -4.95 120.51 118.94 3imd n ALA 115 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3imd n ALA 115 Cb 0.44 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3imd n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imd n GLY 116 N 1.44 1.04 3.79 0.00 0.00 -1.15 -5.09 105.19 105.21 3imd n GLY 116 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3imd n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imd s LYS 117 N -0.89 4.19 -0.04 1.61 1.02 -1.26 -4.77 119.74 119.60 3imd s LYS 117 Ca 0.00 1.43 -0.08 0.00 0.02 0.00 0.00 55.97 57.33 3imd s LYS 117 Cb 0.00 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3imd s LYS 117 CO 0.00 -0.10 0.25 0.71 -0.92 0.00 0.00 175.35 175.29 3imd s TYR 118 N -1.74 3.62 0.13 3.18 1.51 0.34 -1.78 117.35 122.60 3imd s TYR 118 Ca 0.58 0.64 -0.19 0.00 -1.01 0.00 0.00 57.07 57.09 3imd s TYR 118 Cb -0.19 -2.03 0.05 0.00 -0.11 0.00 0.00 41.96 39.68 3imd s TYR 118 CO 0.25 0.67 0.48 -0.59 -1.11 0.00 0.00 175.55 175.25 3imd s PHE 119 N -1.15 -0.34 -0.17 2.71 -0.12 -0.10 -0.73 117.98 118.08 3imd s PHE 119 Ca 0.22 0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 57.17 3imd s PHE 119 Cb -0.13 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.53 3imd s PHE 119 CO 0.11 -0.75 -0.17 1.28 -0.05 0.00 0.00 175.22 175.64 3imd n LEU 120 N -0.21 2.34 0.00 -1.99 4.77 -1.26 -0.44 117.00 120.21 3imd n LEU 120 Ca -0.17 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3imd n LEU 120 Cb 0.64 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3imd n LEU 120 CO 0.16 0.62 0.00 0.79 -1.33 0.00 0.00 177.39 177.63 3imd n TRP 121 N -3.27 0.00 0.03 -1.77 7.02 -1.26 -4.87 117.44 113.31 3imd n TRP 121 Ca -0.31 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.17 3imd n TRP 121 Cb 0.78 0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.73 3imd n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3imd n VAL 122 N -1.63 0.39 -2.22 -0.99 0.31 -1.26 -5.06 118.33 107.88 3imd n VAL 122 Ca 0.00 0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 64.04 3imd n VAL 122 Cb 0.00 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 3imd n VAL 122 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3imd s VAL 123 N -2.00 3.62 0.16 2.52 1.01 -1.26 -5.03 120.40 119.43 3imd s VAL 123 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.12 3imd s VAL 123 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3imd s VAL 123 CO 0.00 0.02 -0.04 -1.59 0.00 0.00 0.00 175.10 173.50 3imd s LYS 124 N 2.03 2.29 0.13 2.72 -2.85 -1.26 -4.48 119.74 118.32 3imd s LYS 124 Ca 0.64 -1.12 0.04 0.00 -1.00 0.00 0.00 55.97 54.53 3imd s LYS 124 Cb -0.33 -2.31 -0.04 0.00 -2.06 0.00 0.00 37.83 33.09 3imd s LYS 124 CO 0.28 0.46 -0.10 -0.06 0.10 0.00 0.00 175.35 176.02 3imd s PHE 125 N -1.63 1.21 -0.46 1.78 0.40 0.10 -4.93 117.98 114.45 3imd s PHE 125 Ca 0.26 -0.71 0.26 0.00 -0.60 0.00 0.00 56.93 56.13 3imd s PHE 125 Cb -0.10 -0.63 0.94 0.00 0.51 0.00 0.00 43.02 43.75 3imd s PHE 125 CO 0.17 0.06 1.76 -0.91 0.70 0.00 0.00 175.22 177.00 3imd h ASN 126 N 3.08 0.00 -5.17 1.36 2.35 -1.94 0.97 115.58 116.24 3imd h ASN 126 Ca -0.37 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.31 3imd h ASN 126 Cb 1.19 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.44 3imd h ASN 126 CO 0.59 0.00 -0.19 -0.94 -1.65 0.00 0.00 177.43 175.24 3imd s SER 127 N -4.70 -0.07 0.30 5.81 1.04 -1.26 -4.86 113.70 109.96 3imd s SER 127 Ca 0.06 -0.65 0.07 0.00 0.48 0.00 0.00 55.95 55.91 3imd s SER 127 Cb 0.10 0.47 0.48 0.00 0.10 0.00 0.00 66.02 67.17 3imd s SER 127 CO 0.50 -0.91 1.72 -0.07 0.98 0.00 0.00 173.24 175.45 3imd h LEU 128 N 2.45 0.25 -0.44 2.42 3.38 -1.96 -2.50 115.31 118.90 3imd h LEU 128 Ca -0.31 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3imd h LEU 128 Cb 1.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3imd h LEU 128 CO 0.46 0.62 0.29 -1.13 0.09 0.00 0.00 178.44 178.77 3imd h ASN 129 N 0.21 0.51 0.55 -0.43 -0.00 -1.99 -0.54 115.58 113.89 3imd h ASN 129 Ca 0.02 -0.02 -0.14 0.00 -0.00 0.00 0.00 56.30 56.16 3imd h ASN 129 Cb 0.77 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.95 3imd h ASN 129 CO 0.06 0.37 -0.65 -0.33 -0.00 0.00 0.00 177.43 176.89 3imd h GLU 130 N 0.60 0.09 0.11 6.67 5.08 -1.94 -1.96 114.58 123.23 3imd h GLU 130 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3imd h GLU 130 Cb -0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3imd h GLU 130 CO -0.03 0.70 -0.05 1.25 -1.00 0.00 0.00 179.01 179.88 3imd h LEU 131 N 0.06 -0.12 -0.14 1.33 6.46 -1.05 -1.61 115.31 120.25 3imd h LEU 131 Ca -0.01 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3imd h LEU 131 Cb 1.15 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 3imd h LEU 131 CO 0.09 0.12 -0.01 0.58 -0.62 0.00 0.00 178.44 178.60 3imd h VAL 132 N -0.37 0.89 -0.67 1.05 2.07 -1.10 -2.46 116.25 115.66 3imd h VAL 132 Ca -0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3imd h VAL 132 Cb 0.30 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3imd h VAL 132 CO 0.02 0.01 0.26 0.44 0.02 0.00 0.00 177.57 178.32 3imd h ASP 133 N 0.03 0.91 -0.61 0.57 3.32 -1.31 -2.55 116.42 116.77 3imd h ASP 133 Ca 0.07 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3imd h ASP 133 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3imd h ASP 133 CO -0.12 0.81 0.07 0.22 -1.72 0.00 0.00 179.24 178.50 3imd h TYR 134 N 0.97 1.10 0.00 4.55 3.20 -1.17 -2.74 116.97 122.88 3imd h TYR 134 Ca 0.23 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3imd h TYR 134 Cb 0.19 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3imd h TYR 134 CO 0.02 0.95 0.00 0.72 -1.64 0.00 0.00 178.16 178.21 3imd n HIS 135 N -4.26 0.00 0.12 -3.82 8.25 -0.94 -2.34 115.22 112.23 3imd n HIS 135 Ca 0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 3imd n HIS 135 Cb 0.30 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.43 3imd n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imd h ARG 136 N 0.00 0.00 -0.00 -0.41 3.08 -1.37 -1.62 114.38 114.06 3imd h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3imd h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3imd h ARG 136 CO 0.00 0.24 -0.03 -1.13 -1.07 0.00 0.00 179.97 177.98 3imd n SER 137 N -3.00 0.55 -3.95 7.04 3.41 -0.99 -4.40 113.62 112.27 3imd n SER 137 Ca -0.01 -0.77 -0.23 0.00 -0.26 0.00 0.00 58.87 57.60 3imd n SER 137 Cb 0.68 0.54 -0.17 0.00 -0.26 0.00 0.00 64.21 65.00 3imd n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3imd s THR 138 N -0.66 0.84 0.34 6.66 2.01 -1.00 -5.10 115.64 118.73 3imd s THR 138 Ca 0.01 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 3imd s THR 138 Cb 0.01 -0.81 -0.12 0.00 0.01 0.00 0.00 72.50 71.58 3imd s THR 138 CO 0.04 0.30 1.22 -0.24 -0.69 0.00 0.00 174.62 175.24 3imd n SER 139 N 4.06 2.37 0.18 3.53 2.88 -1.26 -4.29 113.62 121.09 3imd n SER 139 Ca -0.22 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 3imd n SER 139 Cb 0.51 -1.44 0.13 0.00 -0.75 0.00 0.00 64.21 62.66 3imd n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3imd h VAL 140 N 2.34 0.00 -3.24 2.46 -1.51 -1.64 -3.47 116.25 111.19 3imd h VAL 140 Ca -0.45 -0.97 -0.66 0.00 -1.23 0.00 0.00 66.70 63.40 3imd h VAL 140 Cb 1.30 1.82 -0.11 0.00 -2.13 0.00 0.00 31.29 32.16 3imd h VAL 140 CO 0.62 0.00 -0.61 -0.55 -1.23 0.00 0.00 177.57 175.79 3imd s SER 141 N -5.86 5.37 0.00 4.19 0.15 -1.26 -5.00 113.70 111.29 3imd s SER 141 Ca 0.05 0.03 0.25 0.00 0.70 0.00 0.00 55.95 56.98 3imd s SER 141 Cb 0.07 -1.45 0.39 0.00 -1.71 0.00 0.00 66.02 63.32 3imd s SER 141 CO 0.70 0.25 1.34 0.54 1.20 0.00 0.00 173.24 177.27 3imd n ARG 142 N 1.09 1.06 -0.02 5.44 1.74 -1.26 -4.24 116.66 120.47 3imd n ARG 142 Ca -0.13 -0.77 0.03 0.00 -0.77 0.00 0.00 57.85 56.21 3imd n ARG 142 Cb 0.52 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 3imd n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3imd n ASN 143 N -0.29 2.30 -3.99 0.55 3.02 -1.26 -5.05 115.26 110.54 3imd n ASN 143 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.57 3imd n ASN 143 Cb 0.41 1.36 -0.08 0.00 -0.61 0.00 0.00 39.78 40.86 3imd n ASN 143 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3imd s GLN 144 N -2.69 0.94 -0.84 3.52 1.11 -1.26 -5.10 119.66 115.35 3imd s GLN 144 Ca -0.05 -1.18 -0.18 0.00 0.01 0.00 0.00 55.36 53.96 3imd s GLN 144 Cb 0.07 0.32 0.14 0.00 -1.01 0.00 0.00 33.01 32.52 3imd s GLN 144 CO 0.48 -0.30 0.99 -0.65 0.01 0.00 0.00 175.29 175.82 3imd s GLN 145 N -3.95 3.47 -0.24 2.91 -1.52 -1.26 -4.21 119.66 114.86 3imd s GLN 145 Ca 0.14 -1.72 0.01 0.00 -1.95 0.00 0.00 55.36 51.84 3imd s GLN 145 Cb 0.05 -4.67 0.04 0.00 -0.22 0.00 0.00 33.01 28.21 3imd s GLN 145 CO -0.04 -1.66 -0.11 0.42 -0.25 0.00 0.00 175.29 173.64 3imd s ILE 146 N 2.41 2.40 -0.14 1.08 1.01 -1.26 -5.05 121.20 121.65 3imd s ILE 146 Ca 0.26 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 3imd s ILE 146 Cb -0.10 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3imd s ILE 146 CO -0.05 0.18 -0.03 -0.36 0.00 0.00 0.00 174.94 174.67 3imd s PHE 147 N 1.22 3.04 0.20 3.97 0.40 -1.26 -1.85 117.98 123.70 3imd s PHE 147 Ca -0.02 -0.17 -0.31 0.00 -0.60 0.00 0.00 56.93 55.82 3imd s PHE 147 Cb -0.17 -1.91 -0.10 0.00 0.51 0.00 0.00 43.02 41.35 3imd s PHE 147 CO -0.07 0.09 1.53 -0.51 0.70 0.00 0.00 175.22 176.96 3imd s LEU 148 N 0.04 4.37 -0.00 -0.37 1.43 -0.61 -4.30 118.68 119.24 3imd s LEU 148 Ca 0.01 2.65 -0.01 0.00 -1.03 0.00 0.00 54.13 55.75 3imd s LEU 148 Cb -0.13 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 3imd s LEU 148 CO 0.03 -0.79 0.02 0.00 0.23 0.00 0.00 176.35 175.83 3imd s ARG 149 N 0.61 0.14 0.37 1.70 1.70 -0.76 -4.44 118.95 118.26 3imd s ARG 149 Ca 0.67 -0.19 -0.27 0.00 -0.47 0.00 0.00 55.73 55.46 3imd s ARG 149 Cb -0.43 0.06 -0.11 0.00 -0.57 0.00 0.00 34.95 33.89 3imd s ARG 149 CO 0.36 -0.02 1.34 -0.25 -1.08 0.00 0.00 175.30 175.64 3imd n ASP 150 N 2.52 3.01 -4.78 -2.89 8.00 -1.26 -3.33 116.55 117.82 3imd n ASP 150 Ca -0.16 1.19 -0.35 0.00 0.71 0.00 0.00 54.79 56.18 3imd n ASP 150 Cb 0.58 -1.53 -0.00 0.00 -0.02 0.00 0.00 41.12 40.15 3imd n ASP 150 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3imd s ILE 151 N -1.12 3.27 -0.47 0.53 -4.36 -1.26 -4.84 121.20 112.94 3imd s ILE 151 Ca 0.56 0.79 -0.26 0.00 -0.26 0.00 0.00 60.65 61.48 3imd s ILE 151 Cb -0.53 -3.31 0.03 0.00 1.25 0.00 0.00 42.46 39.90 3imd s ILE 151 CO 0.62 -0.18 0.98 -1.61 0.24 0.00 0.00 174.94 174.99 3imd s GLU 152 N -3.30 3.56 0.53 0.37 0.41 -1.26 -5.02 118.70 113.99 3imd s GLU 152 Ca 0.72 0.23 -0.17 0.00 -0.41 0.00 0.00 54.97 55.34 3imd s GLU 152 Cb -0.22 -3.93 -0.07 0.00 -1.78 0.00 0.00 34.13 28.13 3imd s GLU 152 CO 0.26 -1.28 1.01 -0.65 -0.49 0.00 0.00 175.26 174.11 3imd s GLN 153 N 3.94 3.78 -0.16 1.61 -1.52 -1.26 -5.04 119.66 121.01 3imd s GLN 153 Ca 0.39 1.08 -0.26 0.00 -1.95 0.00 0.00 55.36 54.62 3imd s GLN 153 Cb -0.09 -2.11 -0.01 0.00 -0.22 0.00 0.00 33.01 30.58 3imd s GLN 153 CO 0.27 -0.42 0.88 0.14 -0.25 0.00 0.00 175.29 175.92 3imd s VAL 154 N -2.47 4.85 -1.67 1.09 -7.23 -1.26 -5.28 120.40 108.42 3imd s VAL 154 Ca 0.61 1.75 0.00 0.00 -1.81 0.00 0.00 61.98 62.54 3imd s VAL 154 Cb -0.12 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.63 3imd s VAL 154 CO 0.30 0.01 0.42 -0.81 -0.31 0.00 0.00 175.10 174.71